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CS-W001157 4
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Methyl 4-amino-3-bromo-5-nitrobenzoate

  • CAS No. 105655-17-2

  • Cat. No. CS-0030201
  • Purity≥97%
  • MDL No.MFCD08443938

*For research and further manufacturing use only, not for direct human use.

Methyl 4-amino-3-bromo-5-nitrobenzoate|CS-0030201

Structure of 105655-17-2

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General Information

  • CAS No. 105655-17-2
  • Cat. No. CS-0030201
  • Purity ≥97%
  • MDL No. MFCD08443938
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrN₂O₄
  • Molecular Weight 275.06
  • Synonym(s) Methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate
  • SMILES O=C(OC)C1=CC([N+]([O-])=O)=C(N)C(Br)=C1

Synthesis

  • Route1

    References

    • Charrier, Nicolas; Demont, Emmanuel; Dunsdon, Rachel; Maile, Graham; Naylor, Alan; O'Brien, Alistair; Redshaw, Sally; Theobald, Pam; Vesey, David; Walter, Daryl Synlett, 2005 , # 20 art. no. D23305ST, p. 3071 - 3074
  • Route2
    • 4-Amino-3-bromo-5-nitrobenzoic acid|CS-0145417
      556651-33-3
    • null|null
      18107-18-1
    • ~%
    • In-stock
      Methyl 4-amino-3-bromo-5-nitrobenzoate|CS-0030201
      105655-17-2

    References

    • WO2010/111058 A1, ; Page/Page column 88 ; WO 2010/111058 A1
  • Route3

    References

    • Synthesis, , # 20 p. 3467 - 3477

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   95.46
  • LogP   1.7261
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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